1,1,1,2,3,3,3-heptafluoro-2-iodopropane

• ChemBase ID: 9769
• Molecular Formular: C3F7I
• Molecular Mass: 295.9253924
• Monoisotopic Mass: 295.89329554
• SMILES: C(C(C(F)(F)F)(I)F)(F)(F)F
• Canonical SMILES: FC(C(F)(F)F)(C(F)(F)F)I
• InChI: InChI=1S/C3F7I/c4-1(11,2(5,6)7)3(8,9)10
• InChIKey: BBZVTTKMXRPMHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,3,3,3-heptafluoro-2-iodopropane
• IUPAC Traditional name: 1,1,1,2,3,3,3-heptafluoro-2-iodopropane
• Synonyms: 2-Iodoheptafluoropropane; 2-Iodoperfluoropropane; Heptafluoro-2-iodopropane; Heptafluoroisopropyl iodide; 2-Iodoheptafluoropropane; Perfluoroisopropyl iodide; 2-Iodoperfluoropropane 98%; 2-碘七氟丙烷; 七氟异丙基碘; 全氟异丙基碘; 七氟-2-碘代丙烷; 七氟-2-碘丙烷

Database IDs

• CAS Number: 677-69-0
• EC Number: 211-643-3
• MDL Number: MFCD00042089
• Beilstein Number: 1841228
• PubChem SID: 24887166; 24861021; 160973076
• PubChem CID: 33978

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.915599
• LogD (pH = 7.4): 3.915599
• Log P: 3.915599
• Molar Refractivity: 29.9885 cm^3
• Polarizability: 12.041761 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -56°C; -56°C
• Boiling Point: 38°C; 38°C; 40 °C(lit.)
• Flash Point: none°C
• Density: 2.08 g/mL at 25 °C(lit.); 2.10; 2.100
• Refractive Index: 1.3298; 1.33; 1.3300; n20/D 1.329; n20/D 1.329(lit.)
• Vapor Pressure: 7.12 psi ( 20 °C)

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Keep Cold; Light Sensitive; LIGHT SENSITIVE, KEEP COLD, TOXIC
• RTECS: TZ3925000
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20-36/37/38
• Safety Statements: 26-36; 26-36/37
• TSCA Listed: true; 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H332-H335; H332-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.0% (GC); 97%, stab. with copper powder; 97+%; 98%
• Grade: purum
• Linear Formula: (CF3)2CFI

DETAILS

MP Biomedicals - 05225009

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 342017

Packaging
5, 25 g in ampule